SCHEMBL7558093

SCHEMBL7558093

C=C(c1ccccc1C#N)c1nc2ccsc2c(=O)n1-c1cccnc1Cl

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PDE7A Q13946 1/20 0.39
POLB P06746 3/20 0.38
MEN1 O00255 2/20 0.35
GAA P10253 2/20 0.35
KMT2A Q03164 2/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
DPP4 P27487 1/20 0.34
PIK3CD O00329 3/20 0.33
TSHR P16473 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7515627 0.90 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2PDE7APOLBMEN1
SCHEMBL8805022 0.86 PDE7A (0.43) ALDH1A1SMN1; SMN2PDE7APOLBMEN1
SCHEMBL7517882 0.86 POLB (0.41) ALDH1A1SMN1; SMN2PDE7APOLBMEN1
SCHEMBL7509349 0.83 PDE7A (0.39) ALDH1A1SMN1; SMN2PDE7APOLBMEN1
SCHEMBL7500468 0.82 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2PDE7APOLBMEN1
SCHEMBL7558097 0.77 PDE7A (0.41) ALDH1A1SMN1; SMN2PDE7APOLBMEN1
SCHEMBL7521413 0.76 POLB (0.42) ALDH1A1SMN1; SMN2PDE7APOLBMEN1
SCHEMBL7512387 0.75 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2PDE7APOLBMEN1
SCHEMBL6217966 0.75 PDE7A (0.48) ALDH1A1SMN1; SMN2PDE7APOLBMAPT
SCHEMBL7510642 0.75 POLB (0.46) ALDH1A1SMN1; SMN2PDE7APOLBMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0807633-B1 Novel 2,3-disubstituted-(5,6)- heteroarylfused-pyrimidine-4-ones PFIZER (US) 2002-11-06 EP disclosed
EP-0807633-A2 Novel 2,3-disubstituted-(5,6)- heteroarylfused-pyrimidine-4-ones PFIZER INC. (US) 1997-11-19 EP disclosed